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3-Tetradecanynoic acid
SpectraBase Compound ID 8kMNWV6oM48
InChI InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-10,13H2,1H3,(H,15,16)
InChIKey NXRVELJJJOMFAM-UHFFFAOYSA-N
Mol Weight 224.34 g/mol
Molecular Formula C14H24O2
Exact Mass 224.17763 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KbGocT8rxQB
Name 3-Tetradecanynoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 224.177630011 u
Formula C14H24O2
InChI InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-10,13H2,1H3,(H,15,16)
InChIKey NXRVELJJJOMFAM-UHFFFAOYSA-N
Molecular Weight 224.344 g/mol
SMILES C(CCCCCC#CCC(O)=O)CCCC